4-(azetidin-3-ylmethoxy)-1,2-benzoxazole

C11H12N2O2 — CID 84672187

IUPAC4-(azetidin-3-ylmethoxy)-1,2-benzoxazole
SMILESc1cc(OCC2CNC2)c2cnoc2c1
InChIInChI=1S/C11H12N2O2/c1-2-10(14-7-8-4-12-5-8)9-6-13-15-11(9)3-1/h1-3,6,8,12H,4-5,7H2
InChIKeyMUHPSLQVDDCTDZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.43
Rot. Bonds3

About 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole

4-(azetidin-3-ylmethoxy)-1,2-benzoxazole (PubChem CID 84672187) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethoxy)-1,2-benzoxazole
PubChem CID84672187
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(azetidin-3-ylmethoxy)-1,2-benzoxazole
SMILESc1cc(OCC2CNC2)c2cnoc2c1
InChIInChI=1S/C11H12N2O2/c1-2-10(14-7-8-4-12-5-8)9-6-13-15-11(9)3-1/h1-3,6,8,12H,4-5,7H2
InChIKeyMUHPSLQVDDCTDZ-UHFFFAOYSA-N
XLogP1.43
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole
CID 175054494
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
2-(azetidin-3-ylmethoxy)benzonitrile
CID 67355381
3-[(2-phenylmethoxyphenoxy)methyl]azetidine
CID 164512457
3-[(2-tert-butylphenoxy)methyl]azetidine
CID 59577199
4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole
CID 84694725
5-(pyrrolidin-3-ylmethoxy)-1,2-benzoxazole
CID 84683617
1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589848
2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998973
1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 68913573
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
5-[[5-[2-(azetidin-3-ylmethoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
CID 175957245

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole?
The IUPAC name of 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole (CID 84672187) is 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole.
What is the SMILES notation for 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole?
The canonical SMILES for 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole is c1cc(OCC2CNC2)c2cnoc2c1.
What is the InChIKey of 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole?
The InChIKey is MUHPSLQVDDCTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-10(14-7-8-4-12-5-8)9-6-13-15-11(9)3-1/h1-3,6,8,12H,4-5,7H2.
What are the key properties of 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole?
4-(azetidin-3-ylmethoxy)-1,2-benzoxazole has a molecular weight of 204.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethoxy)-1,2-benzoxazole is sourced from PubChem (CID 84672187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).